CID 7871

Sarin

Structural Information

Molecular Formula

C₄H₁₀FO₂P

SMILES

CC(C)OP(=O)(C)F

InChI

InChI=1S/C4H10FO2P/c1-4(2)7-8(3,5)6/h4H,1-3H3

InChIKey

DYAHQFWOVKZOOW-UHFFFAOYSA-N

Compound name

2-[fluoro(methyl)phosphoryl]oxypropane

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 1060
References: 20268
Patents: 140.04024 Da
Monoisotopic Mass: 0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	141.047516	128.2
[M+Na]+	163.029458	136.5
[M-H]-	139.032964	126.6
[M+NH4]+	158.074063	150.7
[M+K]+	179.003398	137.2
[M+H-H2O]+	123.037500	121.5
[M+HCOO]-	185.038441	154.9
[M+CH3COO]-	199.054091	175.0
[M+Na-2H]-	161.014906	131.6
[M]+	140.03969142	130.4
[M]-	140.04078858	130.4

Literature stripe

literature stripe

Patent stripe

patents stripe